HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=91",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=89",
"results": [
{
"id": "jvasp-61470",
"created_at": "2022-09-04T14:35:41.776343Z",
"updated_at": "2022-09-04T14:35:41.776374Z",
"structure_string": "Al2 F6\n1.0\n4.437723 -2.433986 0.035187\n4.437733 2.434001 0.035208\n3.071131 0.000023 4.023355\nAl F\n2 6\ndirect\n0.999947 0.000010 0.000043 Al\n0.499946 0.500012 0.500041 Al\n0.848968 0.250028 0.651019 F\n0.249964 0.650993 0.849061 F\n0.650923 0.849031 0.250057 F\n0.150923 0.749994 0.349066 F\n0.749931 0.349029 0.151023 F\n0.348969 0.150993 0.750026 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 3.2283233462731338,
"density_atomic": 0.09260381252423666,
"volume": 86.38953172588015,
"volume_molar": 6.5031240030467,
"formula_full": "Al2 F6",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-51430",
"created_at": "2022-09-04T14:37:15.226418Z",
"updated_at": "2022-09-04T14:37:15.226427Z",
"structure_string": "Al2 F6\n1.0\n3.549898 -0.652911 -0.390818\n1.036150 5.143011 0.543337\n0.982850 1.907036 5.525837\nAl F\n2 6\ndirect\n0.305776 0.558002 0.520328 Al\n0.305657 0.827707 0.982891 Al\n0.305709 0.192859 0.751605 F\n0.305722 0.692861 0.751608 F\n0.805672 0.831157 -0.023635 F\n0.805762 0.554579 0.526855 F\n0.303683 0.914741 0.252377 F\n0.307747 0.470959 0.250838 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 2.739600277396196,
"density_atomic": 0.07858488858379675,
"volume": 101.80074240952099,
"volume_molar": 7.663230003282963,
"formula_full": "Al2 F6",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0167399999999999,
"spacegroup": 65
},
{
"id": "jvasp-58383",
"created_at": "2022-09-04T14:37:30.461438Z",
"updated_at": "2022-09-04T14:37:30.461467Z",
"structure_string": "Al1 F3\n1.0\n3.627095 -0.000000 0.000000\n0.000000 3.627095 0.000000\n-0.000000 -0.000000 3.627095\nAl F\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.499999 F\n0.000000 0.499999 0.000000 F\n0.499999 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 2.9223441483301116,
"density_atomic": 0.08382686014264129,
"volume": 47.71740219296689,
"volume_molar": 7.184022817689482,
"formula_full": "Al1 F3",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0040199999999999,
"spacegroup": 221
},
{
"id": "jvasp-110617",
"created_at": "2022-09-04T14:38:39.197636Z",
"updated_at": "2022-09-04T14:38:39.197657Z",
"structure_string": "Al2 F6\n1.0\n4.724070 -0.070839 -8.270064\n0.023178 3.628855 -0.020161\n0.000187 0.030691 5.928065\nAl F\n2 6\ndirect\n0.558367 0.305707 0.038025 Al\n0.827345 0.305725 0.844473 Al\n0.192865 0.305714 0.441247 F\n0.692871 0.305711 0.941272 F\n0.830699 0.805722 0.854365 F\n0.555007 0.805712 0.028131 F\n0.915171 0.305512 0.663365 F\n0.470543 0.305927 0.219134 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 2.7440140004268394,
"density_atomic": 0.07871149535028915,
"volume": 101.63699678678016,
"volume_molar": 7.650903763420722,
"formula_full": "Al2 F6",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0156924999999998,
"spacegroup": 65
},
{
"id": "jvasp-57539",
"created_at": "2022-09-04T14:37:08.830257Z",
"updated_at": "2022-09-04T14:37:08.830267Z",
"structure_string": "Al6 F18\n1.0\n6.964331 0.016662 0.000000\n-3.466496 6.040330 0.000000\n0.000000 0.000000 7.138501\nAl F\n6 18\ndirect\n0.500000 0.500000 0.000000 Al\n-0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 -0.000000 0.000000 Al\n-0.000000 0.500000 0.500000 Al\n0.420698 0.210743 0.466271 F\n0.214376 0.785623 0.461766 F\n0.789257 0.579301 0.033729 F\n0.214376 0.785623 0.038234 F\n0.785623 0.214377 0.961766 F\n0.554719 0.005170 0.250000 F\n0.785623 0.214377 0.538234 F\n0.789257 0.579301 0.466271 F\n0.005170 0.554719 0.750000 F\n0.420698 0.210743 0.033729 F\n0.529360 0.470640 0.750000 F\n0.994830 0.445280 0.250000 F\n0.579301 0.789257 0.966271 F\n0.210742 0.420698 0.966271 F\n0.470639 0.529360 0.250000 F\n0.445280 0.994830 0.750000 F\n0.579301 0.789257 0.533729 F\n0.210742 0.420698 0.533729 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 2.782379849844911,
"density_atomic": 0.0798120121033417,
"volume": 300.7066150509333,
"volume_molar": 7.545406513749396,
"formula_full": "Al6 F18",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0053999999999998,
"spacegroup": 63
},
{
"id": "jvasp-20310",
"created_at": "2022-09-04T14:37:45.338916Z",
"updated_at": "2022-09-04T14:37:45.338937Z",
"structure_string": "Al2 F6\n1.0\n4.301427 0.031864 2.676178\n1.502620 4.030562 2.676178\n0.045525 0.031865 5.065780\nAl F\n2 6\ndirect\n0.500001 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.653114 0.249999 0.846886 F\n0.250000 0.846887 0.653112 F\n0.153114 0.346888 0.750001 F\n0.750002 0.153113 0.346888 F\n0.346888 0.750000 0.153114 F\n0.846888 0.653111 0.250000 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 3.2109155580272426,
"density_atomic": 0.09210447358377859,
"volume": 86.85788744803116,
"volume_molar": 6.538380304103511,
"formula_full": "Al2 F6",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0001074999999999,
"spacegroup": 167
},
{
"id": "jvasp-101535",
"created_at": "2022-09-04T14:36:44.997108Z",
"updated_at": "2022-09-04T14:36:44.997128Z",
"structure_string": "Al2 F6\n1.0\n3.621933 -0.059969 0.055761\n0.048166 4.754637 2.244572\n-0.085835 0.113093 5.914418\nAl F\n2 6\ndirect\n0.000003 0.365660 0.268493 Al\n-0.000001 0.634340 0.731507 Al\n0.000001 -0.000000 0.500000 F\n0.000001 0.500000 0.500000 F\n0.500006 0.637692 0.724914 F\n0.499996 0.362307 0.275085 F\n-0.000284 0.723052 0.000159 F\n0.000286 0.276948 0.999841 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 2.761748390492924,
"density_atomic": 0.07922020279894273,
"volume": 100.98434133403616,
"volume_molar": 7.6017739758681495,
"formula_full": "Al2 F6",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0133924999999999,
"spacegroup": 65
},
{
"id": "jvasp-37996",
"created_at": "2022-09-04T14:38:02.278790Z",
"updated_at": "2022-09-04T14:38:02.278820Z",
"structure_string": "Al1 Fe2\n1.0\n2.053728 -3.557161 0.000000\n2.053728 3.557161 0.000000\n0.000000 0.000000 2.556680\nAl Fe\n1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666668 0.333334 0.500000 Fe\n0.333334 0.666668 0.500000 Fe\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"Fe"
],
"chemical_system": "Al-Fe",
"density": 6.164297856825516,
"density_atomic": 0.08030978043795552,
"volume": 37.355350539374136,
"volume_molar": 7.498639302908432,
"formula_full": "Al1 Fe2",
"formula_reduced": "AlFe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.487977933333333,
"spacegroup": 191
},
{
"id": "jvasp-15000",
"created_at": "2022-09-04T14:35:52.250227Z",
"updated_at": "2022-09-04T14:35:52.250243Z",
"structure_string": "Al1 Fe1\n1.0\n2.874732 0.000000 0.000000\n0.000000 2.874732 0.000000\n0.000000 -0.000000 2.874732\nAl Fe\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Fe"
],
"chemical_system": "Al-Fe",
"density": 5.789306190982623,
"density_atomic": 0.08418561824792968,
"volume": 23.75702693196275,
"volume_molar": 7.153408011169531,
"formula_full": "Al1 Fe1",
"formula_reduced": "AlFe",
"formula_anonymous": "AB",
"energy_above_hull": 1.5256791499999998,
"spacegroup": 221
},
{
"id": "jvasp-99748",
"created_at": "2022-09-04T14:36:37.483424Z",
"updated_at": "2022-09-04T14:36:37.483452Z",
"structure_string": "Al1 Fe3\n1.0\n3.641993 0.000000 -0.000000\n-0.000000 3.641993 0.000000\n-0.000000 -0.000000 3.641993\nAl Fe\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Fe"
],
"chemical_system": "Al-Fe",
"density": 6.686337741977345,
"density_atomic": 0.08280235162482627,
"volume": 48.30780674109136,
"volume_molar": 7.272910300043227,
"formula_full": "Al1 Fe3",
"formula_reduced": "AlFe3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.947557325,
"spacegroup": 221
},
{
"id": "jvasp-37995",
"created_at": "2022-09-04T14:38:02.210531Z",
"updated_at": "2022-09-04T14:38:02.210552Z",
"structure_string": "Al1 Fe1\n1.0\n1.321921 -2.289634 -0.000000\n1.321921 2.289634 0.000000\n0.000000 0.000000 4.920772\nAl Fe\n1 1\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Fe"
],
"chemical_system": "Al-Fe",
"density": 4.617254399472228,
"density_atomic": 0.06714214163227171,
"volume": 29.787551474805873,
"volume_molar": 8.969241393851327,
"formula_full": "Al1 Fe1",
"formula_reduced": "AlFe",
"formula_anonymous": "AB",
"energy_above_hull": 1.93504415,
"spacegroup": 191
},
{
"id": "jvasp-86876",
"created_at": "2022-09-04T14:35:59.889793Z",
"updated_at": "2022-09-04T14:35:59.889813Z",
"structure_string": "Al12 Fe2\n1.0\n4.936028 0.007533 0.000000\n-0.682119 4.888674 -0.000000\n-0.000000 -0.000000 8.841938\nAl Fe\n12 2\ndirect\n0.677170 0.322829 0.499998 Al\n0.144515 0.144515 0.100026 Al\n0.677171 0.322830 -0.000002 Al\n0.855486 0.855485 0.899979 Al\n0.030414 0.393551 0.750001 Al\n0.322830 0.677170 -0.000002 Al\n0.144514 0.144514 0.399979 Al\n0.969586 0.606448 0.250001 Al\n0.606448 0.969585 0.250001 Al\n0.393552 0.030414 0.750001 Al\n0.855485 0.855484 0.600026 Al\n0.322829 0.677169 0.499998 Al\n0.458836 0.458835 0.249997 Fe\n0.541164 0.541163 0.749997 Fe\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Al",
"Fe"
],
"chemical_system": "Al-Fe",
"density": 3.3884195560492616,
"density_atomic": 0.06560235184104123,
"volume": 213.40698324235254,
"volume_molar": 9.179763516088629,
"formula_full": "Al12 Fe2",
"formula_reduced": "Al6Fe",
"formula_anonymous": "AB6",
"energy_above_hull": 2.1805746142857148,
"spacegroup": 63
}
]
}